N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

C18H20F3N3O2 — CID 121145309

IUPACN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)14-6-4-13(5-7-14)9-17(25)23-15-10-22-24(11-15)12-16-3-1-2-8-26-16/h4-7,10-11,16H,1-3,8-9,12H2,(H,23,25)
InChIKeyCNJXMXOCCOFPIY-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.65
Rot. Bonds5

About N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 121145309) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID121145309
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC NameN-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C18H20F3N3O2/c19-18(20,21)14-6-4-13(5-7-14)9-17(25)23-15-10-22-24(11-15)12-16-3-1-2-8-26-16/h4-7,10-11,16H,1-3,8-9,12H2,(H,23,25)
InChIKeyCNJXMXOCCOFPIY-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 121016982
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 129356006
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129356151
2-(1H-indol-3-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 119099720
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 121145309) is N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cnn(CC2CCCCO2)c1.
What is the InChIKey of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CNJXMXOCCOFPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c19-18(20,21)14-6-4-13(5-7-14)9-17(25)23-15-10-22-24(11-15)12-16-3-1-2-8-26-16/h4-7,10-11,16H,1-3,8-9,12H2,(H,23,25).
What are the key properties of N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 367.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 121145309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).